SMILES:
CC1CN(Cc2ccc3c(Cl)ccnc3c2)C(=O)C(C)N1Molecular Processing
Molecular formula
C16H18ClN3O
Molecular weight
303.79
Exact mass
303.1138
XLogP
2.6
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
84.23
Supplementary Information
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